| SpectraBase Compound ID | B2e1nBOgCfp |
|---|---|
| InChI | InChI=1S/C10H20OS/c1-8(2)5-6-9(3)7-12-10(4)11/h8-9H,5-7H2,1-4H3 |
| InChIKey | NRUOUSAPLWOYIG-UHFFFAOYSA-N |
| Mol Weight | 188.33 g/mol |
| Molecular Formula | C10H20OS |
| Exact Mass | 188.123486 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LRNWvhFik3Y |
|---|---|
| Name | 1-Hexanethiol, 2,5-dimethyl-, thiolacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.123486437 u |
| Formula | C10H20OS |
| InChI | InChI=1S/C10H20OS/c1-8(2)5-6-9(3)7-12-10(4)11/h8-9H,5-7H2,1-4H3 |
| InChIKey | NRUOUSAPLWOYIG-UHFFFAOYSA-N |
| Molecular Weight | 188.329 g/mol |
| SMILES | C(CSC(=O)C)(CCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890095 |